>compound D-Sorbitol_D-Sorbitol
#instrument UPLC Q-Tof Premier, Waters
>formula C6H14O6
#smiles OCC(O)C(O)C(O)C(O)CO
#RECORD LC-ESI-QTOF_train_data/PR100703.txt;LC-ESI-QTOF_train_data/PR100279.txt
>charge -1
>ionization [M-H]-
>parentmass 181.07123

>collision 5-60
59.0155 47.71
71.0152 179.7
73.0307 58.39
85.0307 30.38
89.0248 82.29
101.0241 146.6
113.0243 18.86
119.0344 15.07
163.0601 19.45
181.0712 351.1

>collision 5-60
69.0348 29.31
83.0515 14.51
85.0293 8.822
87.0457 5.312
97.9702 4.814
99.0441 7.779
99.5119 8.473
111.0456 9.472
129.0571 14.19
147.067 7.831
183.0868 4.797

